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80151-33-3,MFCD04039064
Catalog No.:AA0054JN

80151-33-3 | 3-(3-Chlorophenyl)prop-2-yn-1-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$119.00   $83.00
- +
1g
95%
in stock  
$208.00   $145.00
- +
2.5g
95
in stock  
$416.00   $292.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0054JN
Chemical Name:
3-(3-Chlorophenyl)prop-2-yn-1-ol
CAS Number:
80151-33-3
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD04039064
SMILES:
OCC#Cc1cccc(c1)Cl
Properties
Properties
 
Form:
Liquid  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
177  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]BulletinoftheChemicalSocietyofJapan,1973,vol.46,p.954-959

[2]JournalofOrganicChemistry,2017,vol.82,p.9066-9074

[3]EuropeanJournalofOrganicChemistry,2021,vol.2021,p.6777-6780

[1]BulletinoftheChemicalSocietyofJapan,1973,vol.46,p.954-959

[1]JournalofMedicinalChemistry,1998,vol.41,p.1084-1091

[2]JournaloftheAmericanChemicalSociety,2012,vol.134,p.12751-12757

[1]Synlett,2022

[2]JournaloftheAmericanChemicalSociety,2012,vol.134,p.12751-12757

[3]JournaloftheAmericanChemicalSociety,2010,vol.132,p.11881-11883

[4]JournalofMedicinalChemistry,1998,vol.41,p.2524-2536

[5]JournalofMedicinalChemistry,1998,vol.41,p.1084-1091

[6]Chemistry-AEuropeanJournal,2014,vol.20,p.5910-5913

[7]OrganicandBiomolecularChemistry,2016,vol.14,p.3878-3882

[8]AngewandteChemie-InternationalEdition,2018,vol.57,p.8734-8738    Angew.Chem.,2018,vol.130,p.8870-8874,5

[9]AdvancedSynthesisandCatalysis,2019,vol.361,p.1108-1116

[10]OrganicLetters,2020,vol.22,p.3765-3769

[11]EuropeanJournalofOrganicChemistry,2021,vol.2021,p.1553-1558

[12]NewJournalofChemistry,2021,vol.45,p.16430-16433

524-38-9    80151-33-3   
2-3-(3-Chloro-phenyl)-prop-2-ynyloxy-isoindole-1,3-dione 

[1]JournalofMedicinalChemistry,1998,vol.41,p.2524-2536

Literature
Quotation Request
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SDS
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Tags:80151-33-3 Molecular Formula|80151-33-3 MDL|80151-33-3 SMILES|80151-33-3 3-(3-Chlorophenyl)prop-2-yn-1-ol
Catalog No.: AA0054JN
80151-33-3,MFCD04039064
80151-33-3 | 3-(3-Chlorophenyl)prop-2-yn-1-ol
Pack Size： 250mg
Purity： 95%
in stock
$119.00 $83.00
Pack Size： 1g
Purity： 95%
in stock
$208.00 $145.00
Pack Size： 2.5g
Purity： 95
in stock
$416.00 $292.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0054JN
Chemical Name: 3-(3-Chlorophenyl)prop-2-yn-1-ol
CAS Number: 80151-33-3
Molecular Formula: C9H7ClO
Molecular Weight: 166.6043
MDL Number: MFCD04039064
SMILES: OCC#Cc1cccc(c1)Cl
Properties
Form: Liquid  
Storage: Room Temperature;Keep in dry area;  
Complexity: 177  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
50-00-0    766-83-6    80151-33-3 

[1]BulletinoftheChemicalSocietyofJapan,1973,vol.46,p.954-959

[2]JournalofOrganicChemistry,2017,vol.82,p.9066-9074

[3]EuropeanJournalofOrganicChemistry,2021,vol.2021,p.6777-6780

80151-33-3    41412-81-1 

[1]BulletinoftheChemicalSocietyofJapan,1973,vol.46,p.954-959

80151-33-3    1026840-30-1 

[1]JournalofMedicinalChemistry,1998,vol.41,p.1084-1091

[2]JournaloftheAmericanChemicalSociety,2012,vol.134,p.12751-12757

625-99-0    107-19-7    80151-33-3 

[1]Synlett,2022

[2]JournaloftheAmericanChemicalSociety,2012,vol.134,p.12751-12757

[3]JournaloftheAmericanChemicalSociety,2010,vol.132,p.11881-11883

[4]JournalofMedicinalChemistry,1998,vol.41,p.2524-2536

[5]JournalofMedicinalChemistry,1998,vol.41,p.1084-1091

[6]Chemistry-AEuropeanJournal,2014,vol.20,p.5910-5913

[7]OrganicandBiomolecularChemistry,2016,vol.14,p.3878-3882

[8]AngewandteChemie-InternationalEdition,2018,vol.57,p.8734-8738    Angew.Chem.,2018,vol.130,p.8870-8874,5

[9]AdvancedSynthesisandCatalysis,2019,vol.361,p.1108-1116

[10]OrganicLetters,2020,vol.22,p.3765-3769

[11]EuropeanJournalofOrganicChemistry,2021,vol.2021,p.1553-1558

[12]NewJournalofChemistry,2021,vol.45,p.16430-16433

524-38-9    80151-33-3   
2-3-(3-Chloro-phenyl)-prop-2-ynyloxy-isoindole-1,3-dione 

[1]JournalofMedicinalChemistry,1998,vol.41,p.2524-2536

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Historical Records
2055119-05-4
2055119-05-4
27161-64-4
27161-64-4
905929-92-2
905929-92-2
921530-33-8
921530-33-8
1396867-07-4
1396867-07-4
Submit
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